3-amino-N-[3-[4-amino-4-(hydroxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide

C22H23N9O2 — CID 118873318

About 3-amino-N-[3-[4-amino-4-(hydroxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide

3-amino-N-[3-[4-amino-4-(hydroxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide (PubChem CID 118873318) has the molecular formula C22H23N9O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is 3-amino-N-[3-[4-amino-4-(hydroxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[3-[4-amino-4-(hydroxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide
• PubChem CID: 118873318
• Molecular Formula: C22H23N9O2
• Molecular Weight: 445.49 g/mol
• Exact Mass: 445.20
• IUPAC Name: 3-amino-N-[3-[4-amino-4-(hydroxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide
• SMILES: N#Cc1cccnc1-c1cnc(N)c(C(=O)Nc2ncccc2N2CCC(N)(CO)CC2)n1
• InChI: InChI=1S/C22H23N9O2/c23-11-14-3-1-7-26-17(14)15-12-28-19(24)18(29-15)21(33)30-20-16(4-2-8-27-20)31-9-5-22(25,13-32)6-10-31/h1-4,7-8,12,32H,5-6,9-10,13,25H2,(H2,24,28)(H,27,30,33)
• InChIKey: CKAIRTHTMUCHRJ-UHFFFAOYSA-N
• XLogP: 0.93
• TPSA: 179.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.49
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[4-amino-4-(hydroxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide?

The IUPAC name of 3-amino-N-[3-[4-amino-4-(hydroxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide (CID 118873318) is 3-amino-N-[3-[4-amino-4-(hydroxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[3-[4-amino-4-(hydroxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-N-[3-[4-amino-4-(hydroxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide is N#Cc1cccnc1-c1cnc(N)c(C(=O)Nc2ncccc2N2CCC(N)(CO)CC2)n1.

What is the InChIKey of 3-amino-N-[3-[4-amino-4-(hydroxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide?

The InChIKey is CKAIRTHTMUCHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9O2/c23-11-14-3-1-7-26-17(14)15-12-28-19(24)18(29-15)21(33)30-20-16(4-2-8-27-20)31-9-5-22(25,13-32)6-10-31/h1-4,7-8,12,32H,5-6,9-10,13,25H2,(H2,24,28)(H,27,30,33).

What are the key properties of 3-amino-N-[3-[4-amino-4-(hydroxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide?

3-amino-N-[3-[4-amino-4-(hydroxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 445.49 g/mol, XLogP of 0.93, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[3-[4-amino-4-(hydroxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 118873318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).